SCHEMBL5898671

SCHEMBL5898671

CC(=O)Nc1sc(-c2ccc(Cl)cc2Cl)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
JAK2 O60674 4/20 0.47
IKBKB O14920 3/20 0.45
JAK3 P52333 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PTK2 Q05397 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CHEK1 O14757 1/20 0.43
EIF2AK2 P19525 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5898665 0.83 IKBKB (0.59) MEN1KMT2AJAK2IKBKBJAK3
SCHEMBL5898714 0.81 JAK2 (0.54) ALDH1A1MEN1KMT2AHSD17B10JAK2
SCHEMBL5898656 0.80 JAK2 (0.64) MEN1KMT2AJAK2IKBKBJAK3
SCHEMBL1681463 0.79 JAK2 (0.53) ALDH1A1MEN1KMT2AHSD17B10JAK2
SCHEMBL8221536 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10JAK2IKBKBJAK3
SCHEMBL5898640 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2AHSD17B10JAK2
SCHEMBL5898661 0.77 JAK2 (0.61) ALDH1A1MEN1KMT2AHSD17B10JAK2
SCHEMBL5898635 0.75 IKBKB (0.60) ALDH1A1MEN1KMT2AHSD17B10JAK2
SCHEMBL5898693 0.75 JAK2 (0.61) ALDH1A1MEN1KMT2AHSD17B10JAK2
SCHEMBL5898658 0.75 JAK2 (0.52) ALDH1A1MEN1KMT2AHSD17B10JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US claimed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US disclosed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US disclosed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP disclosed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060030596-A1 NF-kappaB inhibitors NFKBIA, IKBKB, IKBKG ALDH1A1 3653/4885MEN1 4412/4885KMT2A 2045/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG ALDH1A1 4049/4885MEN1 4191/4885KMT2A 1915/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.